1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one

C22H28N2O4 — CID 113074785

IUPAC1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
SMILESCOc1ccc(OCCN2CCN(C(=O)CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O4/c1-26-19-7-9-21(10-8-19)28-18-16-23-12-14-24(15-13-23)22(25)11-17-27-20-5-3-2-4-6-20/h2-10H,11-18H2,1H3
InChIKeyCECYNSZEPQAAJP-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.69
Rot. Bonds9

About 1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one

1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one (PubChem CID 113074785) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
PubChem CID113074785
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
SMILESCOc1ccc(OCCN2CCN(C(=O)CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O4/c1-26-19-7-9-21(10-8-19)28-18-16-23-12-14-24(15-13-23)22(25)11-17-27-20-5-3-2-4-6-20/h2-10H,11-18H2,1H3
InChIKeyCECYNSZEPQAAJP-UHFFFAOYSA-N
XLogP2.69
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110638149
1-(4-benzylpiperidin-1-yl)-4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]butane-1,4-dione
CID 86278511
3-[4-(3-phenoxypropanoyl)piperazin-1-yl]-1-phenylpropan-1-one
CID 110398614
2-[3-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-oxopropyl]sulfanylacetamide
CID 30828050
4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
CID 119833017
1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-methylbutan-1-one
CID 113074770
(2-hydroxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 31281275
4,4,4-trifluoro-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
CID 70730336
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 26514387
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
3-(4-methoxyphenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 8001578

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one?
The IUPAC name of 1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one (CID 113074785) is 1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one.
What is the SMILES notation for 1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one?
The canonical SMILES for 1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one is COc1ccc(OCCN2CCN(C(=O)CCOc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one?
The InChIKey is CECYNSZEPQAAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-26-19-7-9-21(10-8-19)28-18-16-23-12-14-24(15-13-23)22(25)11-17-27-20-5-3-2-4-6-20/h2-10H,11-18H2,1H3.
What are the key properties of 1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one?
1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one has a molecular weight of 384.48 g/mol, XLogP of 2.69, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one is sourced from PubChem (CID 113074785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).